- InChI
- InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
- InChI Key
- CDPKJZJVTHSESZ-UHFFFAOYSA-N
- Formula
- C8H7ClO2
- SMILES
- O=C(O)Cc1ccc(Cl)cc1
- Molecular Weight1
- 170.59
- CAS
- 1878-66-6
- Other Names
-
- (4-Chlorophenyl)acetic acid
- (4-chlorophenyl)ethanoic acid
- (p-Chlorophenyl)acetic acid
- 2-(p-Chlorophenyl)acetic acid
- 4-Chlorobenzeneacetic acid
- 4-chlorobenzeneethanoic acid
- 4-chlorophenylacetic acid
- Acetic acid, (p-chlorophenyl)-
- p-chlorophenylacetic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -350.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.57 | kJ/mol | Thermochemistry of phenylacetic and monochlorophenylacetic acids |
| ΔvapH° | 79.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.967 | Crippen Calculated Property | |
| McVol | 119.500 | ml/mol | McGowan Calculated Property |
| Pc | 3819.82 | kPa | Joback Calculated Property |
| Tboil | 553.78 | K | Relay (1.0) Calculated Property |
| Tfus | 389.76 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.19; 307.22] | J/mol×K | [597.24; 830.55] | 
|
| Cp,gas | 260.19 | J/mol×K | 597.24 | Joback Calculated Property |
| Cp,gas | 269.67 | J/mol×K | 636.13 | Joback Calculated Property |
| Cp,gas | 278.44 | J/mol×K | 675.01 | Joback Calculated Property |
| Cp,gas | 286.53 | J/mol×K | 713.90 | Joback Calculated Property |
| Cp,gas | 294.00 | J/mol×K | 752.78 | Joback Calculated Property |
| Cp,gas | 300.88 | J/mol×K | 791.67 | Joback Calculated Property |
| Cp,gas | 307.22 | J/mol×K | 830.55 | Joback Calculated Property |
| η | [0.0002455; 0.0011293] | Pa×s | [409.38; 597.24] |
|
| η | 0.0011293 | Pa×s | 409.38 | Joback Calculated Property |
| η | 0.0008001 | Pa×s | 440.69 | Joback Calculated Property |
| η | 0.0005933 | Pa×s | 472.00 | Joback Calculated Property |
| η | 0.0004567 | Pa×s | 503.31 | Joback Calculated Property |
| η | 0.0003624 | Pa×s | 534.62 | Joback Calculated Property |
| η | 0.0002951 | Pa×s | 565.93 | Joback Calculated Property |
| η | 0.0002455 | Pa×s | 597.24 | Joback Calculated Property |
| ΔfusH | 23.57 | kJ/mol | 377.90 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, 4-chloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermochemistry of phenylacetic and monochlorophenylacetic acids
- Joback Method
- McGowan Method
- NIST Webbook
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